N-(2,3-dimethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-yl)carbothioyl-phenoxy]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-yl)carbothioyl-phenoxy]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[2-methoxy-4-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC2=C(C=C(C=C2)C(=S)N3CC[NH+](CC3)C)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC2=C(C=C(C=C2)C(=S)N3CC[NH+](CC3)C)OC)C

InChI

InChI=1S/C23H29N3O3S/c1-16-6-5-7-19(17(16)2)24-22(27)15-29-20-9-8-18(14-21(20)28-4)23(30)26-12-10-25(3)11-13-26/h5-9,14H,10-13,15H2,1-4H3,(H,24,27)/p+1